4-(4-tert-butylphenyl)-6-chloro-1-methylpyrazolo[4,3-c]pyridine

C17H18ClN3 — CID 175745672

IUPAC4-(4-tert-butylphenyl)-6-chloro-1-methylpyrazolo[4,3-c]pyridine
SMILESCn1ncc2c(-c3ccc(C(C)(C)C)cc3)nc(Cl)cc21
InChIInChI=1S/C17H18ClN3/c1-17(2,3)12-7-5-11(6-8-12)16-13-10-19-21(4)14(13)9-15(18)20-16/h5-10H,1-4H3
InChIKeyITWNHBXQYRBEBE-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.59
Rot. Bonds1

About 4-(4-tert-butylphenyl)-6-chloro-1-methylpyrazolo[4,3-c]pyridine

4-(4-tert-butylphenyl)-6-chloro-1-methylpyrazolo[4,3-c]pyridine (PubChem CID 175745672) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-6-chloro-1-methylpyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-6-chloro-1-methylpyrazolo[4,3-c]pyridine
PubChem CID175745672
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name4-(4-tert-butylphenyl)-6-chloro-1-methylpyrazolo[4,3-c]pyridine
SMILESCn1ncc2c(-c3ccc(C(C)(C)C)cc3)nc(Cl)cc21
InChIInChI=1S/C17H18ClN3/c1-17(2,3)12-7-5-11(6-8-12)16-13-10-19-21(4)14(13)9-15(18)20-16/h5-10H,1-4H3
InChIKeyITWNHBXQYRBEBE-UHFFFAOYSA-N
XLogP4.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-6-chloro-1-methylpyrazolo[4,3-c]pyridine?
The IUPAC name of 4-(4-tert-butylphenyl)-6-chloro-1-methylpyrazolo[4,3-c]pyridine (CID 175745672) is 4-(4-tert-butylphenyl)-6-chloro-1-methylpyrazolo[4,3-c]pyridine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-6-chloro-1-methylpyrazolo[4,3-c]pyridine?
The canonical SMILES for 4-(4-tert-butylphenyl)-6-chloro-1-methylpyrazolo[4,3-c]pyridine is Cn1ncc2c(-c3ccc(C(C)(C)C)cc3)nc(Cl)cc21.
What is the InChIKey of 4-(4-tert-butylphenyl)-6-chloro-1-methylpyrazolo[4,3-c]pyridine?
The InChIKey is ITWNHBXQYRBEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-17(2,3)12-7-5-11(6-8-12)16-13-10-19-21(4)14(13)9-15(18)20-16/h5-10H,1-4H3.
What are the key properties of 4-(4-tert-butylphenyl)-6-chloro-1-methylpyrazolo[4,3-c]pyridine?
4-(4-tert-butylphenyl)-6-chloro-1-methylpyrazolo[4,3-c]pyridine has a molecular weight of 299.81 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-6-chloro-1-methylpyrazolo[4,3-c]pyridine is sourced from PubChem (CID 175745672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).